SCHEMBL25845149

SCHEMBL25845149

CC(O)CNC(=O)C(C)(CC(C)(C)C#N)SC(=S)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
CTSL P07711 5/20 0.32
CTSS P25774 4/20 0.32
CTSK P43235 3/20 0.32
CTSB P07858 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
ACR P10323 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
ACSS2 Q9NR19 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25845190 0.84 KDM4E (0.31) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL25845136 0.84 POLB (0.37) SMN1; SMN2CTSLCTSSCTSKALDH1A1
SCHEMBL15042749 0.83
SCHEMBL25845058 0.82 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL25845064 0.79
SCHEMBL25845198 0.79 ELANE (0.34) CTSLALDH1A1HTT
SCHEMBL15042754 0.79 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1NPC1RAB9AADRB2
SCHEMBL19499637 0.79
SCHEMBL25845066 0.78 ESR1 (0.31) ALDH1A1
SCHEMBL25845099 0.77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230201118-A1 PRODRUG COPOLYMERS AND POLYMERIC MICELLES THEREOF FOR THE DELIVERY OF SHORT-CHAIN FATTY ACIDS, THE PROMOTION OF GUT HEALTH, AND THE TREATMENT OF IMMUNE AND/OR INFLAMMATORY CONDITIONS AND FOOD ALLERGY THE UNIVERSITY OF CHICAGO 2023-06-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230201118-A1 PRODRUG COPOLYMERS AND POLYMERIC MICELLES THEREOF FOR THE DELIVERY OF SHORT-CHAIN FATTY ACIDS, THE PROMOTION OF GUT HEALTH, AND THE TREATMENT OF IMMUNE AND/OR INFLAMMATORY CONDITIONS AND FOOD ALLERGY SI, VIP, FAAH SMN1; SMN2 973/4885CTSL 1104/4885CTSS 221/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.